BDBM50126485 CHEMBL416033::N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-(2-cyclobutylmethyl-7-methyl-1,1,5-trioxo-1,3,4,5-tetrahydro-2H-1lambda*6*-thia-2,4,6-triaza-naphthalen-6-yl)-acetamide

SMILES: Cc1cc2c(NCN(CC3CCC3)S2(=O)=O)c(=O)n1CC(=O)NCc1ccc(N)nc1C

InChI Key: InChIKey=WQNVQKKVNMNOEU-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50126485   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prothrombin (Homo sapiens (Human))	BDBM50126485 (CHEMBL416033 | N-(6-Amino-2-methyl-pyridin-3-ylmet...) Show SMILES Cc1cc2c(NCN(CC3CCC3)S2(=O)=O)c(=O)n1CC(=O)NCc1ccc(N)nc1C Show InChI InChI=1S/C21H28N6O4S/c1-13-8-17-20(24-12-26(32(17,30)31)10-15-4-3-5-15)21(29)27(13)11-19(28)23-9-16-6-7-18(22)25-14(16)2/h6-8,15,24H,3-5,9-12H2,1-2H3,(H2,22,25)(H,23,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human thrombin				Bioorg Med Chem Lett 13: 1441-4 (2003) BindingDB Entry DOI: 10.7270/Q2736Q8C
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50126485 (CHEMBL416033 | N-(6-Amino-2-methyl-pyridin-3-ylmet...) Show SMILES Cc1cc2c(NCN(CC3CCC3)S2(=O)=O)c(=O)n1CC(=O)NCc1ccc(N)nc1C Show InChI InChI=1S/C21H28N6O4S/c1-13-8-17-20(24-12-26(32(17,30)31)10-15-4-3-5-15)21(29)27(13)11-19(28)23-9-16-6-7-18(22)25-14(16)2/h6-8,15,24H,3-5,9-12H2,1-2H3,(H2,22,25)(H,23,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human trypsin				Bioorg Med Chem Lett 13: 1441-4 (2003) BindingDB Entry DOI: 10.7270/Q2736Q8C
					More data for this Ligand-Target Pair